Molecular Properties | |
SMILES: | Cc1ccncc1C(C(=O)NC(C)c1ccccc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 |
MW: | 495.25 |
Fraction sp3: | 0.26 |
HBA: | 4 |
HBD: | 1 |
Rotatable Bonds: | 7 |
TPSA: | 75.44 |
cLogP: | 6.55 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Long aliphatic chain
ALP-POS-02c6a514-44
ROB-UNI-269bf23d-1
0.629
ALF-EVA-46063d6e-4
0.620
ALF-EVA-46063d6e-7
0.616
ALF-EVA-46063d6e-3
0.602
PAU-WEI-df8f33bc-2
0.598
ALP-POS-02c6a514-44
0.598
ALF-EVA-46063d6e-6
0.575
ALP-POS-02c6a514-56
0.545
ALP-POS-c59291d4-6
0.537
ALP-POS-02c6a514-57
0.535
ALP-POS-02c6a514-53
0.500
ALP-POS-02c6a514-54
0.500
DAR-DIA-48c639f7-1
0.491
LON-WEI-adc59df6-61
0.469
MAT-POS-02ae579f-1
0.467
MIC-UNK-9ffaa625-1
0.466
ALF-EVA-46063d6e-1
0.460
ALF-EVA-46063d6e-2
0.459
MAT-POS-f2460aef-1
0.459
LON-WEI-2e27a2e5-1
0.459
MAT-POS-f2460aef-2
0.459
ALP-POS-0c0a3b93-1
0.457
MIC-UNK-9ffaa625-2
0.454
ALF-EVA-719172df-7
0.451
ALP-POS-02c6a514-55
0.450
CHE-UNK-ae827f53-1
0.449
DAR-DIA-48c639f7-2
0.448
DAR-DIA-48c639f7-8
0.444
ALF-EVA-719172df-3
0.443
DAR-DIA-48c639f7-7
0.441
ALF-EVA-719172df-1
0.436
MIC-UNK-96659df2-2
0.435
DAR-DIA-48c639f7-3
0.434
DAR-DIA-48c639f7-6
0.433
DAR-DIA-48c639f7-4
0.433
DAR-DIA-2b784ede-37
0.431
DAR-DIA-2b784ede-40
0.431
DAR-DIA-48c639f7-17
0.430
DAR-DIA-48c639f7-5
0.430
ALP-POS-d0876c20-1
0.427
ALP-POS-02c6a514-13
0.427
DAR-DIA-48c639f7-15
0.426
ALF-EVA-719172df-2
0.422
MIC-UNK-96659df2-3
0.421
DAR-DIA-48c639f7-9
0.420
PAU-WEI-df8f33bc-1
0.417
ALP-POS-02c6a514-32
0.417
DAR-DIA-48c639f7-10
0.416
ALF-EVA-719172df-5
0.415
DAR-DIA-2b784ede-39
0.414
DAR-DIA-48c639f7-11
0.414
DAR-DIA-2b784ede-41
0.412
ALP-POS-780445ae-1
0.410
DAR-DIA-2b784ede-38
0.405
MIC-UNK-96659df2-4
0.405
MIC-UNK-7c90192e-1
0.403
ALP-POS-02c6a514-19
0.402
MIC-UNK-7c90192e-2
0.398
MIC-UNK-96659df2-1
0.395
DAR-DIA-48c639f7-12
0.392
DAR-DIA-48c639f7-16
0.392
DAR-DIA-48c639f7-18
0.392
ALF-EVA-719172df-4
0.387
LON-WEI-adc59df6-40
0.385
PET-UNK-48ab5cd7-6
0.383
ALP-POS-88a7a97e-2
0.382
ALP-POS-88a7a97e-7
0.380
ALP-POS-02c6a514-34
0.379
LON-WEI-adc59df6-31
0.377
ALP-POS-a2344586-1
0.374
DAR-DIA-48c639f7-14
0.370
LON-WEI-adc59df6-21
0.369
ALP-POS-02c6a514-9
0.369
ALP-POS-88a7a97e-5
0.368
ALF-EVA-719172df-6
0.365
ALP-POS-02c6a514-11
0.365
ALP-POS-88a7a97e-1
0.364
ALP-POS-305f6ec3-49
0.364
DAR-DIA-48c639f7-13
0.364
DAR-DIA-2b784ede-54
0.362
ALP-POS-305f6ec3-44
0.361
ALP-POS-b0bc6a46-11
0.361
ALP-POS-02c6a514-18
0.361
ALP-POS-95f71980-21
0.359
ALP-POS-88a7a97e-18
0.358
ALP-POS-02c6a514-48
0.358
RYA-UNI-c3f66fb2-1
0.357
ALP-POS-02c6a514-12
0.353
ALP-POS-88a7a97e-44
0.352
LON-WEI-adc59df6-30
0.352
LON-WEI-adc59df6-50
0.352
ALP-POS-02c6a514-31
0.352
DAR-DIA-9e4459de-26
0.351
DAR-DIA-9e4459de-25
0.351
ALP-POS-b0bc6a46-23
0.350
ALP-POS-02c6a514-38
0.350
LON-WEI-adc59df6-51
0.349
DAR-DIA-2b784ede-31
0.349
ALP-POS-88a7a97e-14
0.349
ALP-POS-88a7a97e-4
0.348